(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol

C22H26O3 — CID 129360239

IUPAC(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)C1(c2ccccc2)O[C@@H]2CCCCCC[C@H]2O1
InChIInChI=1S/C22H26O3/c23-21(17-11-5-3-6-12-17)22(18-13-7-4-8-14-18)24-19-15-9-1-2-10-16-20(19)25-22/h3-8,11-14,19-21,23H,1-2,9-10,15-16H2/t19-,20-,21-/m1/s1
InChIKeyOCBKKPZQWLEFFE-NJDAHSKKSA-N
MW338.45 g/mol
LogP4.71
Rot. Bonds3

About (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol

(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol (PubChem CID 129360239) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
PubChem CID129360239
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)C1(c2ccccc2)O[C@@H]2CCCCCC[C@H]2O1
InChIInChI=1S/C22H26O3/c23-21(17-11-5-3-6-12-17)22(18-13-7-4-8-14-18)24-19-15-9-1-2-10-16-20(19)25-22/h3-8,11-14,19-21,23H,1-2,9-10,15-16H2/t19-,20-,21-/m1/s1
InChIKeyOCBKKPZQWLEFFE-NJDAHSKKSA-N
XLogP4.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol with MolForge

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Related Compounds

phenyl-(2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl)methanol
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(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
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CID 134930519
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163
(S)-[(1S,6S)-7-bromo-7-bicyclo[4.1.0]heptanyl]-phenylmethanol
CID 7036761
1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol
CID 66788783
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(S)-cyclopentyl(phenyl)methanol
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(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol (CID 129360239) is (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol is O[C@H](c1ccccc1)C1(c2ccccc2)O[C@@H]2CCCCCC[C@H]2O1.
What is the InChIKey of (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol?
The InChIKey is OCBKKPZQWLEFFE-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H26O3/c23-21(17-11-5-3-6-12-17)22(18-13-7-4-8-14-18)24-19-15-9-1-2-10-16-20(19)25-22/h3-8,11-14,19-21,23H,1-2,9-10,15-16H2/t19-,20-,21-/m1/s1.
What are the key properties of (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol?
(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol has a molecular weight of 338.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol is sourced from PubChem (CID 129360239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).